(3R)-5-acetyl-3,4-diphenylpyrrolidine-3-carbonitrile

C19H18N2O — CID 167030258

IUPAC(3R)-5-acetyl-3,4-diphenylpyrrolidine-3-carbonitrile
SMILESCC(=O)C1NC[C@](C#N)(c2ccccc2)C1c1ccccc1
InChIInChI=1S/C19H18N2O/c1-14(22)18-17(15-8-4-2-5-9-15)19(12-20,13-21-18)16-10-6-3-7-11-16/h2-11,17-18,21H,13H2,1H3/t17?,18?,19-/m1/s1
InChIKeyMKTXVBLWUMEQFT-CTWPCTMYSA-N
MW290.37 g/mol
LogP2.79
Rot. Bonds3

About (3R)-5-acetyl-3,4-diphenylpyrrolidine-3-carbonitrile

(3R)-5-acetyl-3,4-diphenylpyrrolidine-3-carbonitrile (PubChem CID 167030258) has the molecular formula C19H18N2O and a molecular weight of 290.37 g/mol. Its IUPAC name is (3R)-5-acetyl-3,4-diphenylpyrrolidine-3-carbonitrile.

Molecular Properties

Compound Name(3R)-5-acetyl-3,4-diphenylpyrrolidine-3-carbonitrile
PubChem CID167030258
Molecular FormulaC19H18N2O
Molecular Weight290.37 g/mol
Exact Mass290.14
IUPAC Name(3R)-5-acetyl-3,4-diphenylpyrrolidine-3-carbonitrile
SMILESCC(=O)C1NC[C@](C#N)(c2ccccc2)C1c1ccccc1
InChIInChI=1S/C19H18N2O/c1-14(22)18-17(15-8-4-2-5-9-15)19(12-20,13-21-18)16-10-6-3-7-11-16/h2-11,17-18,21H,13H2,1H3/t17?,18?,19-/m1/s1
InChIKeyMKTXVBLWUMEQFT-CTWPCTMYSA-N
XLogP2.79
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-5-acetyl-3,4-diphenylpyrrolidine-3-carbonitrile?
The IUPAC name of (3R)-5-acetyl-3,4-diphenylpyrrolidine-3-carbonitrile (CID 167030258) is (3R)-5-acetyl-3,4-diphenylpyrrolidine-3-carbonitrile.
What is the SMILES notation for (3R)-5-acetyl-3,4-diphenylpyrrolidine-3-carbonitrile?
The canonical SMILES for (3R)-5-acetyl-3,4-diphenylpyrrolidine-3-carbonitrile is CC(=O)C1NC[C@](C#N)(c2ccccc2)C1c1ccccc1.
What is the InChIKey of (3R)-5-acetyl-3,4-diphenylpyrrolidine-3-carbonitrile?
The InChIKey is MKTXVBLWUMEQFT-CTWPCTMYSA-N. The full InChI is InChI=1S/C19H18N2O/c1-14(22)18-17(15-8-4-2-5-9-15)19(12-20,13-21-18)16-10-6-3-7-11-16/h2-11,17-18,21H,13H2,1H3/t17?,18?,19-/m1/s1.
What are the key properties of (3R)-5-acetyl-3,4-diphenylpyrrolidine-3-carbonitrile?
(3R)-5-acetyl-3,4-diphenylpyrrolidine-3-carbonitrile has a molecular weight of 290.37 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-acetyl-3,4-diphenylpyrrolidine-3-carbonitrile is sourced from PubChem (CID 167030258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).